butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane

C12H24FIOSi — CID 154157649

IUPACbutyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[C@@H]1C[C@@H](CI)C[C@H]1F
InChIInChI=1S/C12H24FIOSi/c1-4-5-6-16(2,3)15-12-8-10(9-14)7-11(12)13/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1
InChIKeyIDNZJEZKSQNYEZ-QJPTWQEYSA-N
MW358.31 g/mol
LogP4.56
Rot. Bonds6

About butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane

butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane (PubChem CID 154157649) has the molecular formula C12H24FIOSi and a molecular weight of 358.31 g/mol. Its IUPAC name is butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
PubChem CID154157649
Molecular FormulaC12H24FIOSi
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Namebutyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[C@@H]1C[C@@H](CI)C[C@H]1F
InChIInChI=1S/C12H24FIOSi/c1-4-5-6-16(2,3)15-12-8-10(9-14)7-11(12)13/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1
InChIKeyIDNZJEZKSQNYEZ-QJPTWQEYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Rel-tert-butyl(((1R,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl)oxy)dimethylsilane
CID 59201700
Rel-tert-butyl(((1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl)oxy)dimethylsilane
CID 59382951
tert-butyl-[(1R,2S,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 67190360
tert-butyl-[(2S,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 68712574
tert-butyl-[(2S,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 68715041
tert-butyl-[(1S,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 91865186
tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 91865889
tert-butyl-[(3R,4S)-6-iodo-2,4-dimethylhexan-3-yl]oxy-dimethylsilane
CID 13969336
tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane
CID 11405653
tert-butyl-[rel-(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentoxy]-dimethyl-silane
CID 72529731
tert-butyl-[(1S,2S,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
CID 101480040
Tert-butyl-dimethyl-(3-methylcyclopentyl)oxysilane
CID 59121110

Frequently Asked Questions

What is the IUPAC name of butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The IUPAC name of butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane (CID 154157649) is butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane is CCCC[Si](C)(C)O[C@@H]1C[C@@H](CI)C[C@H]1F.
What is the InChIKey of butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The InChIKey is IDNZJEZKSQNYEZ-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H24FIOSi/c1-4-5-6-16(2,3)15-12-8-10(9-14)7-11(12)13/h10-12H,4-9H2,1-3H3/t10-,11+,12+/m0/s1.
What are the key properties of butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane has a molecular weight of 358.31 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(1R,2R,4R)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 154157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).